2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane

C13H24O2 — CID 66757263

IUPAC2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
SMILESC=CCCCCCCC1COC(C)(C)O1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h4,12H,1,5-11H2,2-3H3
InChIKeyMCRIGKSUTGFTNK-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.66
Rot. Bonds7

About 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane

2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane (PubChem CID 66757263) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane.

Molecular Properties

Compound Name2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
PubChem CID66757263
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
SMILESC=CCCCCCCC1COC(C)(C)O1
InChIInChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h4,12H,1,5-11H2,2-3H3
InChIKeyMCRIGKSUTGFTNK-UHFFFAOYSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane?
The IUPAC name of 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane (CID 66757263) is 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane.
What is the SMILES notation for 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane?
The canonical SMILES for 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane is C=CCCCCCCC1COC(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane?
The InChIKey is MCRIGKSUTGFTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-5-6-7-8-9-10-12-11-14-13(2,3)15-12/h4,12H,1,5-11H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane?
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane is sourced from PubChem (CID 66757263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).